Institute of Experimental Mineralogy
Russian Academy of Sciences
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142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
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*** W W W - X R A Y P O L ***
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LINDGRENITE
2, f-lindgrenite
Cu(3)[MoO(4)](2)(OH)(2)
Monoclinic P 2(1)/n Z = 2
P2(1)/n
8 .4 .1988
Ref.Str.:
F.C.Hawthorne, K.Eby (1985)
* Neues Jb. Miner., Mh., H.5, 234-240
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.394 alpha = 90.0
b = 14.023 beta = 98.5
c = 5.608 gamma = 90.0
Unit cell volume (cub. angs.) = 419.53
Molar volume ( cub.cm/mol.) = 126.35
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0 0.99 Cu = 1.00
2 0.8638 0.0939 0.487 1.05 Cu = 1.00
3 0.4559 0.1546 0.8772 0.86 Mo = 1.00
4 0.9801 0.2234 0.4358 1.9 O = 1.00
5 0.6505 0.0918 0.1009 1.8 O = 1.00
6 0.5532 0.1299 0.5938 1.5 O = 1.00
7 0.1448 0.113 0.873 1.4 O = 1.00
8 0.1321 0.0306 0.3405 1.0 O = 1.00
9 0.27 0.048 0.35 1.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0
2 2 0.8638 0.0939 0.487
3 3 0.4559 0.1546 0.8772
4 4 0.9801 0.2234 0.4358
5 5 0.6505 0.0918 0.1009
6 6 0.5532 0.1299 0.5938
7 7 0.1448 0.113 0.873
8 8 0.1321 0.0306 0.3405
9 9 0.27 0.048 0.35
10 2 0.1362 0.9061 0.513
11 3 0.5441 0.8454 0.1228
12 4 0.0199 0.7766 0.5642
13 5 0.3495 0.9082 0.8991
14 6 0.4468 0.8701 0.4062
15 7 0.8552 0.887 0.127
16 8 0.8679 0.9694 0.6595
17 9 0.73 0.952 0.65
18 1 0.5 0.5 0.5
19 2 0.3638 0.4061 0.987
20 3 0.9559 0.3454 0.3772
21 4 0.4801 0.2766 0.9358
22 5 0.1505 0.4082 0.6009
23 6 0.0532 0.3701 0.0938
24 7 0.6448 0.387 0.373
25 8 0.6321 0.4694 0.8405
26 9 0.77 0.452 0.85
27 2 0.6362 0.5939 0.013
28 3 0.0441 0.6546 0.6228
29 4 0.5199 0.7234 0.0642
30 5 0.8495 0.5918 0.3991
31 6 0.9468 0.6299 0.9062
32 7 0.3552 0.613 0.627
33 8 0.3679 0.5306 0.1595
34 9 0.23 0.548 0.15
X-ray density (g/cm cub.) = 4.31
MU (1/cm) = 340.365 Mass attenuation coefficient (cm**2/g) = 78.987
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cu 2.808 6
2.418 5
1.9475 7
1.9839 8
2.418 5
1.9475 7
1.9839 8
2 Cu 2.808 6
1.9559 4
2.2971 5
1.9279 6
2.4667 7
1.9773 8
1.9949 8
3 Mo 2.448 4
1.7495 5
1.7797 6
1.7734 7
1.7439 4
4 O 3.264 7
3.0177 5
2.9 6
2.9246 7
2.8978 8
2.8576 5
2.8791 6
2.9103 7
5 O 3.264 9
3.0177 4
2.9378 6
2.8648 6
3.1366 7
2.8516 7
2.8737 8
3.1626 5
3.0726 7
2.8576 4
6 O 3.264 7
2.9 4
2.8648 5
2.9378 5
2.8949 7
2.857 8
2.8103 8
2.8791 4
7 O 3.264 9
2.9246 4
2.8516 5
3.1366 5
2.8949 6
2.8751 8
3.1933 8
3.0726 5
2.6816 8
2.9103 4
8 O 3.264 8
2.8978 4
2.8737 5
2.857 6
3.1933 7
2.8751 7
2.8103 6
2.6816 7
2.5926 8
9 H 1.632 1
0.7771 8
X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 0 2 0 6.307 12.614 0.071 162.75 2 51.7 494.0
2 0 1 1 8.589 17.178 0.097 86.73 4 25.4 127.3
3 1 1 0 8.887 17.774 0.1 80.87 4 27.2 136.5
4 0 2 1 10.2 20.399 0.115 60.87 4 95.6 1264.5
5 1 2 0 10.453 20.906 0.118 57.85 4 31.1 127.2
6 1 0 -1 10.658 21.317 0.12 55.56 2 170.9 1844.5
7 1 1 -1 11.124 22.249 0.125 50.83 4 23.8 65.5
8 1 0 1 12.393 24.787 0.139 40.55 2 88.6 361.9
9 1 2 -1 12.423 24.845 0.14 40.35 4 87.5 702.6
10 0 3 1 12.445 24.89 0.14 40.19 4 29.9 81.6
11 1 3 0 12.656 25.312 0.142 38.8 4 184.0 2985.8
12 0 4 0 12.693 25.385 0.143 38.56 2 152.5 1019.3
13 1 1 1 12.8 25.599 0.144 37.89 4 160.5 2217.3
14 1 2 1 13.952 27.904 0.157 31.57 4 49.6 176.2
15 1 3 -1 14.342 28.685 0.161 29.77 4 50.9 175.6
16 0 4 1 15.066 30.132 0.169 26.79 4 86.5 455.3
17 1 4 0 15.243 30.486 0.171 26.13 4 65.5 255.1
18 1 3 1 15.699 31.399 0.176 24.52 4 81.3 368.6
19 0 0 2 16.126 32.253 0.18 23.14 2 160.5 677.2
20 0 1 2 16.448 32.895 0.184 22.18 4 125.3 791.6
21 1 4 -1 16.69 33.381 0.186 21.48 4 160.7 1261.4
22 2 0 0 16.785 33.57 0.187 21.22 2 166.1 665.2
23 2 1 0 17.095 34.19 0.191 20.39 4 72.3 242.0
24 1 1 -2 17.373 34.747 0.194 19.69 4 20.6 19.0
25 0 2 2 17.379 34.759 0.194 19.67 4 56.5 142.9
26 2 1 -1 17.839 35.677 0.199 18.58 4 112.8 537.5
27 1 4 1 17.887 35.775 0.199 18.47 4 65.8 181.8
28 0 5 1 17.925 35.849 0.2 18.39 4 104.6 457.4
29 2 2 0 17.997 35.994 0.201 18.22 4 26.6 29.2
30 1 5 0 18.077 36.153 0.201 18.05 4 5.3 1.1
31 1 2 -2 18.263 36.527 0.203 17.65 4 124.8 624.5
32 2 2 -1 18.71 37.419 0.208 16.73 4 129.8 640.7
33 0 3 2 18.842 37.684 0.21 16.47 4 27.7 28.8
34 0 6 0 19.243 38.486 0.214 15.73 2 47.7 40.6
35 1 5 -1 19.337 38.673 0.215 15.56 4 43.4 66.5
36 2 3 0 19.42 38.84 0.216 15.41 4 41.2 59.5
37 1 1 2 19.631 39.262 0.218 15.05 4 131.3 589.6
38 1 3 -2 19.67 39.339 0.218 14.98 4 63.3 136.5
39 2 1 1 20.051 40.103 0.223 14.35 4 49.7 80.5
40 2 3 -1 20.089 40.178 0.223 14.29 4 26.0 21.9
41 1 5 1 20.399 40.799 0.226 13.81 4 101.2 321.2
42 1 2 2 20.437 40.874 0.227 13.76 4 15.9 7.9
43 0 4 2 20.742 41.483 0.23 13.31 4 26.0 20.5
44 2 2 1 20.843 41.687 0.231 13.17 4 24.9 18.6
45 0 6 1 20.956 41.911 0.232 13.01 4 75.9 170.2
46 1 6 0 21.089 42.178 0.234 12.82 4 20.8 12.7
47 2 4 0 21.276 42.552 0.236 12.57 4 17.7 9.0
48 1 4 -2 21.508 43.016 0.238 12.27 4 40.6 45.9
49 2 0 -2 21.71 43.42 0.24 12.02 2 121.8 202.4
50 1 3 2 21.725 43.449 0.24 12.0 4 1.3 0.0
51 2 4 -1 21.898 43.797 0.242 11.78 4 54.6 79.8
52 2 1 -2 21.96 43.92 0.243 11.71 4 37.3 37.0
53 2 3 1 22.112 44.224 0.244 11.53 4 7.4 1.4
54 1 6 -1 22.205 44.411 0.245 11.42 4 35.8 33.2
55 2 2 -2 22.698 45.396 0.25 10.87 4 6.2 1.0
56 0 5 2 22.993 45.986 0.254 10.56 4 86.1 177.9
57 1 6 1 23.16 46.32 0.255 10.39 4 30.1 21.4
58 1 4 2 23.432 46.863 0.258 10.11 4 138.2 439.2
59 2 5 0 23.486 46.972 0.259 10.06 4 44.0 44.3
60 1 5 -2 23.701 47.402 0.261 9.86 4 8.8 1.7
61 2 4 1 23.797 47.594 0.262 9.77 4 128.9 368.8
62 2 3 -2 23.888 47.776 0.263 9.68 4 71.3 111.9
63 2 5 -1 24.063 48.127 0.265 9.52 4 66.9 96.8
64 0 7 1 24.131 48.262 0.265 9.46 4 150.2 485.1
65 1 7 0 24.25 48.501 0.267 9.36 4 98.9 208.1
66 0 1 3 24.85 49.7 0.273 8.85 4 61.1 75.0
67 1 0 -3 24.853 49.707 0.273 8.85 2 7.3 0.5
68 1 1 -3 25.079 50.159 0.275 8.67 4 73.1 105.3
69 1 7 -1 25.257 50.514 0.277 8.53 4 95.9 178.4
70 2 0 2 25.42 50.84 0.279 8.41 2 20.0 3.8
71 2 4 -2 25.483 50.966 0.279 8.36 4 12.9 3.2
72 1 5 2 25.496 50.992 0.279 8.35 4 6.3 0.8
73 0 2 3 25.523 51.047 0.28 8.33 4 64.1 77.7
74 0 6 2 25.532 51.064 0.28 8.32 4 40.8 31.5
75 2 1 2 25.642 51.284 0.281 8.24 4 120.1 270.1
76 1 2 -3 25.748 51.497 0.282 8.16 4 9.6 1.7
77 3 0 -1 25.779 51.558 0.282 8.14 2 1.0 0.0
78 2 5 1 25.84 51.679 0.283 8.1 4 17.4 5.6
79 3 1 0 25.889 51.779 0.283 8.06 4 70.8 91.7
80 2 6 0 25.989 51.978 0.284 7.99 4 132.3 317.9
81 3 1 -1 25.999 51.998 0.285 7.98 4 26.7 12.9
82 0 8 0 26.068 52.136 0.285 7.94 2 78.3 55.3
83 1 7 1 26.126 52.253 0.286 7.9 4 4.3 0.3
84 1 6 -2 26.188 52.376 0.286 7.85 4 55.4 54.8
85 2 2 2 26.301 52.602 0.288 7.78 4 53.4 50.4
86 2 6 -1 26.525 53.051 0.29 7.63 4 57.7 57.7
87 3 2 0 26.544 53.088 0.29 7.62 4 25.0 10.8
88 0 3 3 26.618 53.236 0.291 7.57 4 144.8 360.6
89 3 2 -1 26.651 53.303 0.291 7.55 4 127.7 279.7
90 1 3 -3 26.837 53.673 0.293 7.43 4 39.7 26.6
91 2 3 2 27.374 54.748 0.298 7.1 4 71.6 82.8
92 1 0 3 27.431 54.861 0.299 7.07 2 105.5 89.4
93 2 5 -2 27.434 54.867 0.299 7.07 4 94.1 142.1
94 0 8 1 27.443 54.885 0.299 7.06 4 75.3 91.1
95 1 8 0 27.552 55.104 0.3 7.0 4 103.3 169.7
96 3 3 0 27.61 55.22 0.301 6.96 4 114.4 207.3
97 1 1 3 27.641 55.283 0.301 6.95 4 96.2 146.0
98 3 3 -1 27.715 55.43 0.302 6.9 4 38.1 22.8
99 1 6 2 27.867 55.733 0.303 6.82 4 15.8 3.8
100 0 4 3 28.101 56.202 0.306 6.69 4 66.6 67.5
101 2 6 1 28.19 56.38 0.307 6.64 4 13.4 2.7
102 1 2 3 28.268 56.535 0.307 6.6 4 9.2 1.3
103 2 1 -3 28.277 56.555 0.308 6.6 4 20.5 6.3
104 3 0 1 28.296 56.593 0.308 6.59 2 104.6 81.8
105 1 4 -3 28.312 56.623 0.308 6.58 4 67.2 67.6
106 0 7 2 28.316 56.632 0.308 6.58 4 54.1 43.7
107 1 8 -1 28.475 56.95 0.309 6.49 4 38.6 22.0
108 3 1 1 28.503 57.006 0.31 6.48 4 132.2 257.3
109 2 7 0 28.742 57.485 0.312 6.36 4 22.7 7.4
110 3 1 -2 28.81 57.62 0.313 6.32 4 65.4 61.4
111 2 4 2 28.83 57.66 0.313 6.31 4 105.5 159.8
112 2 2 -3 28.895 57.789 0.314 6.28 4 163.4 381.0
113 1 7 -2 28.929 57.858 0.314 6.27 4 35.1 17.6
114 3 4 0 29.059 58.117 0.315 6.2 4 70.8 70.7
115 3 2 1 29.117 58.234 0.316 6.17 4 73.3 75.4
116 3 4 -1 29.16 58.32 0.316 6.15 4 63.6 56.6
117 2 7 -1 29.245 58.489 0.317 6.11 4 118.2 194.0
118 1 8 1 29.278 58.556 0.317 6.1 4 49.0 33.2
119 1 3 3 29.292 58.584 0.318 6.09 4 64.6 57.8
120 3 2 -2 29.42 58.84 0.319 6.03 4 132.0 238.8
121 2 6 -2 29.698 59.396 0.322 5.91 4 71.7 68.9
122 2 3 -3 29.905 59.81 0.324 5.81 4 65.8 57.2
123 0 5 3 29.935 59.87 0.324 5.8 4 112.3 166.3
124 3 3 1 30.123 60.246 0.326 5.72 4 64.4 53.9
125 1 5 -3 30.138 60.275 0.326 5.71 4 110.3 158.0
126 3 3 -2 30.42 60.84 0.329 5.6 4 124.6 197.6
127 1 7 2 30.507 61.014 0.33 5.56 4 27.9 9.8
128 2 5 2 30.637 61.274 0.331 5.51 4 50.2 31.5
129 1 4 3 30.69 61.379 0.331 5.49 4 1.9 0.0
130 2 7 1 30.813 61.625 0.332 5.44 4 58.8 42.8
131 3 5 0 30.857 61.714 0.333 5.42 4 91.3 102.6
132 0 9 1 30.898 61.795 0.333 5.41 4 59.6 43.7
133 3 5 -1 30.955 61.91 0.334 5.38 4 1.6 0.0
134 1 9 0 30.999 61.998 0.334 5.37 4 144.2 253.8
135 2 4 -3 31.286 62.573 0.337 5.26 4 4.3 0.2
136 0 8 2 31.323 62.646 0.337 5.25 4 42.4 21.5
137 3 4 1 31.499 62.997 0.339 5.18 4 21.2 5.3
138 2 8 0 31.724 63.448 0.341 5.1 4 52.6 32.1
139 3 4 -2 31.788 63.576 0.342 5.08 4 14.4 2.4
140 1 9 -1 31.859 63.718 0.343 5.05 4 80.1 73.8
141 1 8 -2 31.9 63.8 0.343 5.04 4 55.5 35.3
142 0 6 3 32.089 64.178 0.345 4.98 4 50.9 29.3
143 2 8 -1 32.198 64.397 0.346 4.94 4 67.2 50.7
144 2 7 -2 32.246 64.492 0.346 4.92 4 89.2 89.0
145 1 6 -3 32.284 64.567 0.347 4.91 4 144.5 233.0
146 1 5 3 32.434 64.868 0.348 4.86 4 25.0 6.9
147 1 9 1 32.612 65.224 0.35 4.8 4 26.5 7.7
148 2 6 2 32.764 65.528 0.351 4.76 4 18.0 3.5
149 2 1 3 32.933 65.866 0.353 4.71 4 7.5 0.6
150 3 6 0 32.976 65.953 0.353 4.69 4 6.9 0.5
151 2 5 -3 33.013 66.027 0.354 4.68 4 32.0 10.9
152 3 6 -1 33.071 66.141 0.354 4.66 4 88.2 82.4
153 3 5 1 33.219 66.439 0.356 4.62 4 103.2 111.7
154 0 10 0 33.319 66.638 0.357 4.59 2 18.2 1.7
155 1 8 2 33.396 66.791 0.357 4.57 4 155.1 249.6
156 3 1 2 33.421 66.842 0.358 4.56 4 44.2 20.3
157 2 2 3 33.499 66.998 0.358 4.54 4 22.9 5.4
158 3 5 -2 33.501 67.002 0.358 4.54 4 89.9 83.3
159 2 8 1 33.687 67.374 0.36 4.48 4 183.9 344.6
160 3 0 -3 33.701 67.402 0.36 4.48 2 62.7 20.0
161 0 0 4 33.746 67.493 0.361 4.47 2 31.6 5.1
162 1 1 -4 33.756 67.512 0.361 4.47 4 132.5 178.1
163 3 1 -3 33.888 67.776 0.362 4.43 4 72.1 52.3
164 0 1 4 33.933 67.866 0.362 4.42 4 15.3 2.4
165 3 2 2 33.983 67.966 0.363 4.4 4 42.7 18.2
166 1 2 -4 34.315 68.63 0.366 4.32 4 49.7 24.2
167 2 3 3 34.432 68.863 0.367 4.29 4 102.1 101.4
168 3 2 -3 34.446 68.892 0.367 4.28 4 50.3 24.6
169 0 2 4 34.491 68.982 0.368 4.27 4 78.7 60.1
170 1 6 3 34.502 69.003 0.368 4.27 4 124.1 149.3
171 0 10 1 34.512 69.024 0.368 4.26 4 14.7 2.1
172 0 7 3 34.538 69.076 0.368 4.26 4 22.6 5.0
173 0 9 2 34.545 69.09 0.368 4.26 4 61.2 36.2
174 1 10 0 34.608 69.216 0.369 4.24 4 25.7 6.3
175 1 7 -3 34.726 69.451 0.37 4.21 4 59.3 33.6
176 3 3 2 34.91 69.819 0.371 4.17 4 20.1 3.8
177 2 9 0 34.927 69.854 0.372 4.16 4 33.2 10.4
178 2 8 -2 35.058 70.115 0.373 4.13 4 38.4 13.8
179 2 6 -3 35.064 70.127 0.373 4.13 4 61.7 35.7
180 1 9 -2 35.095 70.189 0.373 4.12 4 76.1 54.3
181 2 7 2 35.189 70.379 0.374 4.1 4 6.6 0.4
182 4 1 -1 35.193 70.387 0.374 4.1 4 120.7 135.6
183 1 3 -4 35.238 70.475 0.375 4.09 4 60.1 33.6
184 3 6 1 35.264 70.528 0.375 4.08 4 21.7 4.4
185 4 0 0 35.279 70.558 0.375 4.08 2 6.7 0.2
186 3 3 -3 35.367 70.734 0.376 4.06 4 15.8 2.3
187 2 9 -1 35.379 70.758 0.376 4.06 4 57.4 30.4
188 3 7 0 35.395 70.79 0.376 4.05 4 13.7 1.7
189 0 3 4 35.411 70.823 0.376 4.05 4 3.1 0.1
190 1 10 -1 35.422 70.845 0.376 4.05 4 50.1 23.1
191 4 1 0 35.462 70.924 0.377 4.04 4 60.2 33.2
192 3 7 -1 35.486 70.972 0.377 4.03 4 18.5 3.2
193 3 6 -2 35.538 71.075 0.377 4.02 4 46.9 20.1
194 2 4 3 35.718 71.437 0.379 3.98 4 54.3 26.7
195 4 2 -1 35.742 71.484 0.379 3.97 4 52.7 25.1
196 2 0 -4 35.944 71.889 0.381 3.93 2 6.8 0.2
197 4 2 0 36.009 72.018 0.382 3.92 4 27.9 6.9
198 2 1 -4 36.126 72.252 0.383 3.89 4 2.3 0.0
199 1 10 1 36.138 72.277 0.383 3.89 4 48.1 20.5
200 3 4 2 36.189 72.377 0.383 3.88 4 40.6 14.5
201 1 4 -4 36.512 73.024 0.386 3.81 4 13.7 1.6
202 1 9 2 36.526 73.053 0.386 3.81 4 49.0 20.8
203 3 4 -3 36.64 73.279 0.387 3.79 4 11.0 1.0
204 1 1 4 36.641 73.283 0.387 3.79 4 97.8 82.4
205 4 3 -1 36.649 73.298 0.387 3.79 4 44.0 16.7
206 2 2 -4 36.669 73.338 0.388 3.78 4 73.0 45.8
207 0 4 4 36.683 73.366 0.388 3.78 4 70.3 42.4
208 2 9 1 36.806 73.613 0.389 3.76 4 17.0 2.5
209 1 7 3 36.874 73.748 0.39 3.74 4 11.8 1.2
210 4 3 0 36.913 73.827 0.39 3.74 4 0.8 0.0
211 4 0 -2 37.067 74.133 0.391 3.71 2 69.8 20.5
212 1 2 4 37.181 74.363 0.392 3.69 4 83.8 58.8
213 4 1 -2 37.246 74.492 0.393 3.67 4 34.0 9.6
214 0 8 3 37.269 74.537 0.393 3.67 4 92.9 72.1
215 2 5 3 37.345 74.69 0.394 3.66 4 10.5 0.9
216 2 7 -3 37.421 74.842 0.394 3.64 4 15.5 2.0
217 1 8 -3 37.451 74.901 0.395 3.64 4 27.3 6.2
218 2 3 -4 37.567 75.134 0.396 3.62 4 79.6 52.1
219 3 7 1 37.616 75.233 0.396 3.61 4 11.3 1.0
220 4 2 -2 37.783 75.566 0.398 3.58 4 26.2 5.6
221 3 5 2 37.808 75.615 0.398 3.58 4 91.7 68.3
222 3 7 -2 37.883 75.766 0.399 3.56 4 17.2 2.4
223 2 8 2 37.901 75.802 0.399 3.56 4 35.0 9.9
224 4 4 -1 37.905 75.809 0.399 3.56 4 14.0 1.6
225 0 10 2 37.99 75.981 0.4 3.55 4 89.1 63.9
226 4 1 1 38.032 76.065 0.4 3.54 4 63.0 31.9
227 1 3 4 38.075 76.151 0.4 3.53 4 67.3 36.4
228 3 8 0 38.1 76.201 0.401 3.53 4 103.9 86.6
229 1 5 -4 38.126 76.251 0.401 3.52 4 5.8 0.3
230 2 9 -2 38.129 76.259 0.401 3.52 4 81.8 53.6
231 4 4 0 38.166 76.331 0.401 3.52 4 55.1 24.3
232 3 8 -1 38.189 76.378 0.401 3.51 4 23.6 4.4
233 3 5 -3 38.251 76.503 0.402 3.5 4 100.3 80.0
234 0 5 4 38.294 76.589 0.402 3.5 4 2.6 0.1
235 0 11 1 38.315 76.63 0.402 3.49 4 21.7 3.7
236 2 10 0 38.359 76.717 0.403 3.49 4 50.8 20.4
237 1 11 0 38.407 76.813 0.403 3.48 4 86.4 59.1
238 1 10 -2 38.52 77.041 0.404 3.46 4 55.3 24.0
239 4 2 1 38.566 77.131 0.405 3.45 4 109.4 93.9
240 4 3 -2 38.672 77.344 0.406 3.44 4 7.6 0.5
241 2 10 -1 38.795 77.591 0.407 3.42 4 34.8 9.4
242 2 4 -4 38.812 77.625 0.407 3.42 4 74.7 43.3
243 1 11 -1 39.19 78.381 0.41 3.36 4 45.7 16.0
244 2 6 3 39.3 78.6 0.411 3.35 4 16.2 2.0
245 1 4 4 39.315 78.631 0.411 3.34 4 21.2 3.4
246 4 3 1 39.449 78.898 0.412 3.33 4 54.4 22.3
247 4 5 -1 39.499 78.998 0.413 3.32 4 5.7 0.2
248 1 8 3 39.543 79.085 0.413 3.31 4 31.3 7.4
249 3 6 2 39.755 79.511 0.415 3.29 4 20.9 3.3
250 4 5 0 39.757 79.514 0.415 3.29 4 65.8 32.4
251 1 11 1 39.882 79.765 0.416 3.27 4 51.9 20.0
252 4 4 -2 39.907 79.814 0.416 3.27 4 18.5 2.5
253 1 10 2 39.907 79.814 0.416 3.27 4 28.4 6.0
254 1 6 -4 40.069 80.137 0.418 3.25 4 17.3 2.2
255 2 8 -3 40.078 80.156 0.418 3.24 4 44.6 14.7
256 3 0 3 40.081 80.162 0.418 3.24 2 160.2 94.7
257 2 10 1 40.18 80.359 0.419 3.23 4 4.4 0.1
258 3 6 -3 40.193 80.386 0.419 3.23 4 9.1 0.6
259 0 6 4 40.235 80.47 0.419 3.23 4 88.1 56.9
260 3 1 3 40.257 80.513 0.419 3.22 4 28.2 5.8
261 3 8 1 40.269 80.539 0.42 3.22 4 25.3 4.7
262 0 9 3 40.28 80.559 0.42 3.22 4 28.6 6.0
263 2 5 -4 40.397 80.793 0.421 3.21 4 46.8 16.0
264 1 9 -3 40.458 80.915 0.421 3.2 4 82.0 48.9
265 3 8 -2 40.531 81.063 0.422 3.19 4 12.8 1.2
266 4 4 1 40.678 81.355 0.423 3.17 4 25.1 4.5
267 3 2 3 40.782 81.563 0.424 3.16 4 15.2 1.7
268 3 1 -4 40.867 81.734 0.425 3.15 4 35.9 9.2
269 1 5 4 40.895 81.789 0.425 3.15 4 5.8 0.2
270 2 9 2 40.898 81.796 0.425 3.15 4 5.8 0.2
271 3 9 0 41.094 82.187 0.427 3.13 4 45.9 15.0
272 3 9 -1 41.181 82.361 0.427 3.12 4 14.3 1.5
273 0 12 0 41.236 82.471 0.428 3.11 2 101.8 36.6
274 3 2 -4 41.39 82.781 0.429 3.1 4 93.3 61.3
275 4 6 -1 41.425 82.85 0.429 3.09 4 37.5 9.9
276 2 10 -2 41.471 82.942 0.43 3.09 4 11.1 0.9
277 4 5 -2 41.481 82.961 0.43 3.09 4 33.4 7.9
278 4 1 -3 41.499 82.997 0.43 3.09 4 82.2 47.4
279 2 0 4 41.52 83.04 0.43 3.08 2 84.7 25.2
280 2 7 3 41.577 83.153 0.431 3.08 4 38.1 10.2
281 3 3 3 41.654 83.307 0.431 3.07 4 25.7 4.6
282 4 6 0 41.681 83.361 0.432 3.07 4 114.0 90.6
283 0 11 2 41.683 83.366 0.432 3.07 4 60.7 25.7
284 2 1 4 41.694 83.389 0.432 3.07 4 14.6 1.5
285 4 2 -3 42.021 84.041 0.435 3.04 4 73.9 37.7
286 3 7 2 42.027 84.053 0.435 3.04 4 108.7 81.6
287 2 11 0 42.043 84.086 0.435 3.03 4 46.5 14.9
288 1 11 -2 42.201 84.403 0.436 3.02 4 75.1 38.7
289 2 2 4 42.216 84.432 0.436 3.02 4 40.6 11.3
290 4 5 1 42.246 84.491 0.436 3.02 4 18.8 2.4
291 3 3 -4 42.26 84.52 0.437 3.01 4 8.8 0.5
292 2 6 -4 42.314 84.628 0.437 3.01 4 44.4 13.5
293 1 7 -4 42.337 84.673 0.437 3.01 4 68.1 31.7
294 0 12 1 42.348 84.696 0.437 3.01 4 49.4 16.7
295 1 12 0 42.438 84.875 0.438 3.0 4 39.5 10.7
296 3 7 -3 42.459 84.919 0.438 3.0 4 49.6 16.7
297 2 11 -1 42.471 84.942 0.438 3.0 4 20.5 2.9
298 0 7 4 42.501 85.003 0.439 2.99 4 15.9 1.7
299 1 9 3 42.511 85.023 0.439 2.99 4 0.0 0.0
300 4 0 2 42.599 85.198 0.439 2.99 2 95.4 30.9
301 4 1 2 42.773 85.545 0.441 2.97 4 18.5 2.3
302 1 6 4 42.808 85.616 0.441 2.97 4 29.7 6.0
303 3 4 3 42.869 85.739 0.442 2.96 4 72.3 35.2
304 4 3 -3 42.888 85.777 0.442 2.96 4 12.7 1.1
305 2 9 -3 43.04 86.079 0.443 2.95 4 30.2 6.1
306 2 3 4 43.083 86.166 0.443 2.95 4 51.1 17.5
307 1 12 -1 43.205 86.41 0.444 2.94 4 52.9 18.7
308 3 9 1 43.229 86.457 0.445 2.94 4 25.0 4.2
309 4 2 2 43.292 86.585 0.445 2.93 4 35.1 8.2
310 4 6 -2 43.39 86.781 0.446 2.93 4 145.7 141.1
311 3 4 -4 43.474 86.947 0.447 2.92 4 4.0 0.1
312 1 0 -5 43.475 86.95 0.447 2.92 2 41.5 5.7
313 3 9 -2 43.488 86.975 0.447 2.92 4 50.2 16.7
314 1 11 2 43.564 87.128 0.447 2.91 4 49.0 15.9
315 0 10 3 43.585 87.17 0.448 2.91 4 4.1 0.1
316 1 1 -5 43.648 87.296 0.448 2.91 4 29.4 5.7
317 4 7 -1 43.681 87.363 0.448 2.91 4 68.6 31.0
318 1 10 -3 43.761 87.522 0.449 2.9 4 59.6 23.4
319 2 11 1 43.832 87.665 0.45 2.9 4 38.9 10.0
320 1 12 1 43.885 87.771 0.45 2.89 4 19.0 2.4
321 4 7 0 43.935 87.87 0.45 2.89 4 43.6 12.5
322 4 4 -3 44.1 88.201 0.452 2.88 4 43.0 12.1
323 4 6 1 44.151 88.303 0.452 2.88 4 46.2 14.0
324 0 1 5 44.152 88.304 0.452 2.88 4 53.6 18.7
325 4 3 2 44.158 88.315 0.452 2.87 4 27.2 4.8
326 1 2 -5 44.167 88.334 0.452 2.87 4 23.7 3.7
327 2 8 3 44.178 88.356 0.452 2.87 4 64.0 26.8
328 2 10 2 44.197 88.393 0.453 2.87 4 46.5 14.1
329 2 4 4 44.295 88.589 0.453 2.87 4 96.1 60.2
330 3 10 0 44.39 88.781 0.454 2.86 4 5.6 0.2
331 3 5 3 44.427 88.855 0.454 2.86 4 10.1 0.7
332 3 10 -1 44.477 88.953 0.455 2.86 4 133.8 116.1
333 2 7 -4 44.565 89.131 0.455 2.85 4 73.4 34.9
334 3 8 2 44.625 89.25 0.456 2.85 4 73.1 34.6
335 0 2 5 44.671 89.342 0.456 2.85 4 69.3 31.1
336 1 8 -4 44.934 89.867 0.458 2.83 4 14.9 1.4
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 0 2 0 6.307 12.614 7.0115 494.0 16.5 16.7 5.6
2 0 1 1 8.589 17.178 5.15763 127.3 4.3 4.3 5.6
3 1 1 0 8.887 17.774 4.98613 136.5 4.6 4.6 5.6
4 0 2 1 10.2 20.399 4.34995 1264.5 42.4 42.5 5.6
5 1 2 0 10.453 20.906 4.24557 127.2 4.3 4.3 5.6
6 1 0 -1 10.658 21.317 4.16473 1844.5 61.8 62.0 5.6
7 1 1 -1 11.124 22.249 3.99237 65.5 2.2 2.2 5.6
8 1 0 1 12.393 24.787 3.58897 361.9 12.1 12.1 5.6
9 1 2 -1 12.423 24.845 3.58069 784.2 26.3 26.3 5.6
10 1 3 0 12.656 25.312 3.51569 2985.8 100.0 100.0 5.6
11 0 4 0 12.693 25.385 3.50575 1019.3 34.1 34.1 5.6
12 1 1 1 12.8 25.599 3.4769 2217.3 74.3 74.2 5.6
13 1 2 1 13.952 27.904 3.19476 176.2 5.9 5.9 5.6
14 1 3 -1 14.342 28.685 3.10953 175.6 5.9 5.9 5.6
15 0 4 1 15.066 30.132 2.96341 455.3 15.2 15.2 5.6
16 1 4 0 15.243 30.486 2.92976 255.1 8.5 8.5 5.6
17 1 3 1 15.699 31.399 2.84667 368.6 12.3 12.3 5.6
18 0 0 2 16.126 32.253 2.7732 677.2 22.7 22.6 5.6
19 0 1 2 16.448 32.895 2.72051 791.6 26.5 26.3 5.6
20 1 4 -1 16.69 33.381 2.68203 1261.4 42.2 42.0 5.7
21 2 0 0 16.785 33.57 2.66738 665.2 22.3 22.1 5.7
22 2 1 0 17.095 34.19 2.62039 242.0 8.1 8.0 5.7
23 0 2 2 17.379 34.759 2.57881 161.9 5.4 5.4 5.7
24 2 1 -1 17.839 35.677 2.51449 537.5 18.0 17.8 5.7
25 1 4 1 17.887 35.775 2.50784 181.8 6.1 6.0 5.7
26 0 5 1 17.925 35.849 2.50282 457.4 15.3 15.2 5.7
27 1 2 -2 18.263 36.527 2.45792 624.5 20.9 20.7 5.7
28 2 2 -1 18.71 37.419 2.40135 640.7 21.5 21.2 5.7
29 0 6 0 19.243 38.486 2.33717 40.6 1.4 1.3 5.7
30 1 5 -1 19.337 38.673 2.32629 66.5 2.2 2.2 5.7
31 2 3 0 19.42 38.84 2.31671 59.5 2.0 2.0 5.7
32 1 1 2 19.631 39.262 2.29275 589.6 19.7 19.5 5.7
33 1 3 -2 19.67 39.339 2.28843 136.5 4.6 4.5 5.7
34 2 1 1 20.051 40.103 2.24663 80.5 2.7 2.7 5.7
35 1 5 1 20.399 40.799 2.20988 321.2 10.8 10.6 5.7
36 0 6 1 20.956 41.911 2.15376 170.2 5.7 5.6 5.7
37 1 4 -2 21.508 43.016 2.10097 45.9 1.5 1.5 5.7
38 2 0 -2 21.71 43.42 2.08236 202.5 6.8 6.7 5.7
39 2 4 -1 21.898 43.797 2.0653 79.8 2.7 2.6 5.7
40 2 1 -2 21.96 43.92 2.05978 37.0 1.2 1.2 5.7
41 1 6 -1 22.205 44.411 2.03816 33.2 1.1 1.1 5.7
42 0 5 2 22.993 45.986 1.97196 177.9 6.0 5.8 5.7
43 1 4 2 23.432 46.863 1.93705 439.2 14.7 14.4 5.7
44 2 5 0 23.486 46.972 1.93281 44.3 1.5 1.5 5.7
45 2 4 1 23.797 47.594 1.90899 368.8 12.4 12.1 5.7
46 2 3 -2 23.888 47.776 1.90215 111.9 3.7 3.7 5.7
47 2 5 -1 24.063 48.127 1.88912 96.8 3.2 3.2 5.7
48 0 7 1 24.131 48.262 1.88415 485.1 16.2 15.9 5.7
49 1 7 0 24.25 48.501 1.87542 208.1 7.0 6.8 5.7
50 0 1 3 24.85 49.7 1.83294 75.5 2.5 2.5 5.7
51 1 1 -3 25.079 50.159 1.81724 105.3 3.5 3.4 5.7
52 1 7 -1 25.257 50.514 1.80529 178.4 6.0 5.8 5.8
53 0 2 3 25.523 51.047 1.7877 109.2 3.7 3.6 5.8
54 2 1 2 25.642 51.284 1.77997 270.1 9.0 8.8 5.8
55 3 1 0 25.889 51.779 1.76412 91.7 3.1 3.0 5.8
56 2 6 0 25.989 51.978 1.75785 330.9 11.1 10.8 5.8
57 0 8 0 26.068 52.136 1.75287 55.3 1.9 1.8 5.8
58 1 6 -2 26.188 52.376 1.7454 54.8 1.8 1.8 5.8
59 2 2 2 26.301 52.602 1.73845 50.4 1.7 1.6 5.8
60 2 6 -1 26.525 53.051 1.72479 68.5 2.3 2.2 5.8
61 0 3 3 26.618 53.236 1.71921 360.6 12.1 11.7 5.8
62 3 2 -1 26.651 53.303 1.71723 279.7 9.4 9.1 5.8
63 2 3 2 27.374 54.748 1.67527 82.8 2.8 2.7 5.8
64 0 8 1 27.443 54.885 1.67139 322.6 10.8 10.5 5.8
65 1 8 0 27.552 55.104 1.66528 169.7 5.7 5.5 5.8
66 3 3 0 27.61 55.22 1.66204 207.3 6.9 6.7 5.8
67 1 1 3 27.641 55.283 1.66032 146.0 4.9 4.7 5.8
68 0 4 3 28.101 56.202 1.63533 67.5 2.3 2.2 5.8
69 1 4 -3 28.312 56.623 1.62415 200.7 6.7 6.5 5.8
70 3 1 1 28.503 57.006 1.61416 279.3 9.4 9.1 5.8
71 2 4 2 28.83 57.66 1.59738 221.2 7.4 7.2 5.8
72 2 2 -3 28.895 57.789 1.59413 381.0 12.8 12.3 5.8
73 3 4 0 29.059 58.117 1.5859 70.7 2.4 2.3 5.8
74 3 2 1 29.117 58.234 1.583 75.4 2.5 2.4 5.8
75 3 4 -1 29.16 58.32 1.58087 56.6 1.9 1.8 5.8
76 2 7 -1 29.245 58.489 1.5767 194.0 6.5 6.3 5.8
77 1 3 3 29.292 58.584 1.57438 91.0 3.0 2.9 5.8
78 3 2 -2 29.42 58.84 1.56813 238.8 8.0 7.7 5.8
79 2 6 -2 29.698 59.396 1.55476 68.9 2.3 2.2 5.8
80 2 3 -3 29.905 59.81 1.54499 57.2 1.9 1.8 5.8
81 0 5 3 29.935 59.87 1.54359 166.3 5.6 5.4 5.8
82 1 5 -3 30.138 60.275 1.53418 211.9 7.1 6.8 5.8
83 3 3 -2 30.42 60.84 1.5213 197.6 6.6 6.4 5.8
84 2 5 2 30.637 61.274 1.51156 31.5 1.1 1.0 5.8
85 2 7 1 30.813 61.625 1.50377 42.8 1.4 1.4 5.8
86 3 5 0 30.857 61.714 1.50181 102.6 3.4 3.3 5.8
87 0 9 1 30.898 61.795 1.50004 43.7 1.5 1.4 5.8
88 1 9 0 30.999 61.998 1.49563 253.8 8.5 8.2 5.8
89 2 8 0 31.724 63.448 1.46488 32.1 1.1 1.0 5.9
90 1 9 -1 31.859 63.718 1.45933 73.8 2.5 2.4 5.9
91 1 8 -2 31.9 63.8 1.45765 35.3 1.2 1.1 5.9
92 2 8 -1 32.198 64.397 1.44558 50.7 1.7 1.6 5.9
93 2 7 -2 32.246 64.492 1.44368 89.0 3.0 2.9 5.9
94 1 6 -3 32.284 64.567 1.44218 233.0 7.8 7.5 5.9
95 3 6 -1 33.071 66.141 1.41161 82.4 2.8 2.6 5.9
96 3 5 1 33.219 66.439 1.40601 111.7 3.7 3.6 5.9
97 1 8 2 33.396 66.791 1.39945 269.9 9.0 8.6 5.9
98 3 5 -2 33.501 67.002 1.39556 88.7 3.0 2.8 5.9
99 2 8 1 33.687 67.374 1.38876 364.7 12.2 11.6 5.9
100 1 1 -4 33.756 67.512 1.38626 183.2 6.1 5.8 5.9
101 3 1 -3 33.888 67.776 1.38149 52.3 1.8 1.7 5.9
102 2 3 3 34.432 68.863 1.36231 126.1 4.2 4.0 5.9
103 1 6 3 34.502 69.003 1.35989 211.4 7.1 6.7 5.9
104 0 9 2 34.545 69.09 1.35839 41.2 1.4 1.3 5.9
105 1 7 -3 34.726 69.451 1.3522 33.6 1.1 1.1 5.9
106 2 6 -3 35.064 70.127 1.34082 49.5 1.7 1.6 5.9
107 1 9 -2 35.095 70.189 1.33979 54.3 1.8 1.7 5.9
108 4 1 -1 35.193 70.387 1.33651 135.6 4.5 4.3 5.9
109 1 3 -4 35.238 70.475 1.33505 38.0 1.3 1.2 5.9
110 2 9 -1 35.379 70.758 1.3304 34.4 1.2 1.1 5.9
111 4 1 0 35.462 70.924 1.3277 36.4 1.2 1.2 5.9
112 2 4 3 35.718 71.437 1.31942 51.8 1.7 1.6 5.9
113 2 2 -4 36.669 73.338 1.28984 188.4 6.3 5.9 6.0
114 1 2 4 37.181 74.363 1.27458 58.8 2.0 1.9 6.0
115 0 8 3 37.269 74.537 1.27203 81.7 2.7 2.6 6.0
116 2 3 -4 37.567 75.134 1.26339 52.1 1.7 1.6 6.0
117 3 5 2 37.808 75.615 1.25655 73.9 2.5 2.3 6.0
118 0 10 2 37.99 75.981 1.25141 63.9 2.1 2.0 6.0
119 4 1 1 38.032 76.065 1.25024 31.9 1.1 1.0 6.0
120 3 8 0 38.1 76.201 1.24834 176.5 5.9 5.5 6.0
121 3 5 -3 38.251 76.503 1.24417 80.0 2.7 2.5 6.0
122 1 11 0 38.407 76.813 1.23991 59.1 2.0 1.9 6.0
123 4 2 1 38.566 77.131 1.23559 93.9 3.1 2.9 6.0
124 2 4 -4 38.812 77.625 1.22896 52.8 1.8 1.6 6.0
125 4 5 0 39.757 79.514 1.20444 35.6 1.2 1.1 6.0
126 3 0 3 40.081 80.162 1.19632 111.6 3.7 3.5 6.0
127 0 6 4 40.235 80.47 1.19252 62.7 2.1 1.9 6.0
128 1 9 -3 40.458 80.915 1.18708 48.9 1.6 1.5 6.1
129 0 12 0 41.236 82.471 1.16858 36.6 1.2 1.1 6.1
130 3 2 -4 41.39 82.781 1.165 61.3 2.1 1.9 6.1
131 4 1 -3 41.499 82.997 1.16251 80.5 2.7 2.5 6.1
132 0 11 2 41.683 83.366 1.1583 122.4 4.1 3.8 6.1
133 3 7 2 42.027 84.053 1.15057 134.2 4.5 4.1 6.1
134 1 11 -2 42.201 84.403 1.1467 50.0 1.7 1.5 6.1
135 1 7 -4 42.337 84.673 1.14372 62.0 2.1 1.9 6.1
136 3 7 -3 42.459 84.919 1.14104 32.0 1.1 1.0 6.1
137 4 0 2 42.599 85.198 1.13801 30.9 1.0 0.9 6.1
138 3 4 3 42.869 85.739 1.13222 36.3 1.2 1.1 6.1
139 4 6 -2 43.39 86.781 1.12128 141.1 4.7 4.3 6.1
140 4 7 -1 43.681 87.363 1.1153 31.0 1.0 0.9 6.2
141 2 8 3 44.178 88.356 1.10531 82.1 2.7 2.5 6.2
142 2 4 4 44.295 88.589 1.103 60.2 2.0 1.8 6.2
143 3 10 -1 44.477 88.953 1.09943 116.1 3.9 3.5 6.2
144 2 7 -4 44.565 89.131 1.0977 34.9 1.2 1.1 6.2
145 3 8 2 44.625 89.25 1.09654 34.6 1.2 1.1 6.2
146 0 2 5 44.671 89.342 1.09565 31.1 1.0 0.9 6.2
Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)
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